SCHEMBL6887972

SCHEMBL6887972

N[C@@H](Cc1c[nH]cn1)C(=O)OI

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
SLC7A5 Q01650 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18133287 1.00 CYP3A4 (0.30) CYP3A4SLC7A5
SCHEMBL21357734 0.87 CYP3A4 (0.32) CYP3A4SLC7A5
SCHEMBL430439 0.86 CYP3A4 (0.31) CYP3A4SLC7A5
SCHEMBL1161686 0.86 CYP3A4 (0.31) CYP3A4SLC7A5
SCHEMBL833709 0.84 ALDH1A1 (0.36) CYP3A4SLC7A5
SCHEMBL5542759 0.84 CYP3A4 (0.30) CYP3A4SLC7A5
SCHEMBL262238 0.84 ALDH1A1 (0.36) CYP3A4SLC7A5
SCHEMBL3846863 0.84 ALDH1A1 (0.36) CYP3A4SLC7A5
Hydrochloric Acid SCHEMBL4389612 0.83 ALDH1A1 (0.38)
SCHEMBL93941 0.83 SCN9A (0.39)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783366-B1 CHROMATOGRAPHIC RESINS AND METHODS FOR USING SAME UNIV MASSEY (NZ) 2004-08-18 EP disclosed
US-5945520-A RESIN OF SOLID SUPPORT MATRIX, SPACER ARM AND IONIZABLE FUNCTIONALITY; SPECIFICALLY DESIGNED TO BIND THE TARGET COMPOUND FROM AN AQUEOUS SOLUTION AT BOTH A LOW AND HIGH IONIC STRENGTH MASSEY UNIVERSITY (NZ) 1999-08-31 US disclosed
US-5652348-A SOLID SUPPORT MATRIX, IONIZABLE LIGANDS SELECTED RELATIVE TO TARGET COMPOUND MASSEY UNIVERSITY (NZ) 1997-07-29 US disclosed
EP-0783366-A1 CHROMATOGRAPHIC RESINS AND METHODS FOR USING SAME MASSEY UNIVERSITY (NZ) 1997-07-16 EP disclosed
WO-1996009116-A1 CHROMATOGRAPHIC RESINS AND METHODS FOR USING SAME MASSEY UNIVERSITY (NZ) 1996-03-28 WO disclosed